Basic information
- Standard SMILES
Cc1c(C)c(CO)c(C)c([C@H](CCCCCC(=O)O)c2ccc(F)cc2)c1O- InChIKey
SYSUILGXAHBIFN-LJQANCHMSA-N- Molecular formula
- C23H29FO4
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.20498756
Names & identifiers
- Preferred name
- (R)-7-(4-fluorophenyl)-7-(2-hydroxy-5-hydroxymethyl-3,4,6-trimethylphenyl)heptanoic acid
- IUPAC
- (7R)-7-(4-fluorophenyl)-7-[2-hydroxy-5-(hydroxymethyl)-3,4,6-trimethylphenyl]heptanoic acid
Names & synonyms
SCHEMBL8743284SYSUILGXAHBIFN-LJQANCHMSA-N(R)-7-(4-fluorophenyl)-7-(2-hydroxy-5-hydroxylmethyl-3,4,6-trimethylphenyl)heptanoic acid(R)-7-(4-fluorophenyl)-7-(2-hydroxy-5-hydroxymethyl-3,4,6-trimethylphenyl)heptanoic acid
Database identifiers
- PubChem CID
- 18655679
- Nikkaji
- J544.784D
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 477
Related reactions
2 records
Compound notes
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